6-(2-methoxydibenzofuran-3-yl)-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione

C28H23N3O5 — CID 4036165

IUPAC6-(2-methoxydibenzofuran-3-yl)-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2cc3oc4ccccc4c3cc2OC)cc1
InChIInChI=1S/C28H23N3O5/c1-29-21-15-31(20-14-23-19(13-24(20)35-4)18-7-5-6-8-22(18)36-23)26(16-9-11-17(34-3)12-10-16)25(21)27(32)30(2)28(29)33/h5-15H,1-4H3
InChIKeyHEWHKPAZOPSZNW-UHFFFAOYSA-N
MW481.51 g/mol
LogP4.61
Rot. Bonds4

About 6-(2-methoxydibenzofuran-3-yl)-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione

6-(2-methoxydibenzofuran-3-yl)-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 4036165) has the molecular formula C28H23N3O5 and a molecular weight of 481.51 g/mol. Its IUPAC name is 6-(2-methoxydibenzofuran-3-yl)-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2-methoxydibenzofuran-3-yl)-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID4036165
Molecular FormulaC28H23N3O5
Molecular Weight481.51 g/mol
Exact Mass481.16
IUPAC Name6-(2-methoxydibenzofuran-3-yl)-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2cc3oc4ccccc4c3cc2OC)cc1
InChIInChI=1S/C28H23N3O5/c1-29-21-15-31(20-14-23-19(13-24(20)35-4)18-7-5-6-8-22(18)36-23)26(16-9-11-17(34-3)12-10-16)25(21)27(32)30(2)28(29)33/h5-15H,1-4H3
InChIKeyHEWHKPAZOPSZNW-UHFFFAOYSA-N
XLogP4.61
TPSA80.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.51
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 4896739
5-(4-bromophenyl)-6-(2,4-dimethoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 18524055
6-(8-aminonaphthalen-1-yl)-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 2044425
6-[3-(dimethylamino)propyl]-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 4971237
5-(4-methoxyphenyl)-1,3-dimethyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 664086
(1R,7S)-4-(2-methoxydibenzofuran-3-yl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 69106350
6-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-fluorophenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 42581731
5-(2-bromo-5-nitrophenyl)-6-(2,5-dimethoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 4970517
6-(3H-benzimidazol-5-yl)-5-(3,4-dimethoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 29129674
5-(3,4-dimethoxyphenyl)-6-(furan-2-ylmethyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 29140933
6-(4-amino-3,5-dibromophenyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione
CID 5299501
8-(4-methoxyphenyl)-3,5-dimethyl-3,5,9,10-tetrazatricyclo[7.4.0.02,7]trideca-1,7,10,12-tetraene-4,6-dione
CID 712993

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxydibenzofuran-3-yl)-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(2-methoxydibenzofuran-3-yl)-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione (CID 4036165) is 6-(2-methoxydibenzofuran-3-yl)-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2-methoxydibenzofuran-3-yl)-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(2-methoxydibenzofuran-3-yl)-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione is COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2cc3oc4ccccc4c3cc2OC)cc1.
What is the InChIKey of 6-(2-methoxydibenzofuran-3-yl)-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is HEWHKPAZOPSZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O5/c1-29-21-15-31(20-14-23-19(13-24(20)35-4)18-7-5-6-8-22(18)36-23)26(16-9-11-17(34-3)12-10-16)25(21)27(32)30(2)28(29)33/h5-15H,1-4H3.
What are the key properties of 6-(2-methoxydibenzofuran-3-yl)-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione?
6-(2-methoxydibenzofuran-3-yl)-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 481.51 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxydibenzofuran-3-yl)-5-(4-methoxyphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 4036165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).